cmatkhan commited on
Commit
0381f94
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1 Parent(s): c6655e6

major update to dto results across most of the binding/perturbation datasets

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  1. .gitignore +1 -0
  2. dto/{binding_repo_dataset=harbison_2004-harbison_2004/perturbation_repo_dataset=Hackett_2020-hackett_2020 → binding_repo_dataset=callingcards-annotated_features/perturbation_repo_dataset=hackett_2020-hackett_2020}/part-0.parquet +2 -2
  3. dto/binding_repo_dataset=callingcards-annotated_features/perturbation_repo_dataset=hu_2007_reimand_2010-hu_2007_reimand_2010/part-0.parquet +2 -2
  4. dto/binding_repo_dataset=callingcards-annotated_features/{perturbation_repo_dataset=Hackett_2020-hackett_2020 → perturbation_repo_dataset=hughes_2006-knockout}/part-0.parquet +2 -2
  5. dto/binding_repo_dataset=callingcards-annotated_features/perturbation_repo_dataset=hughes_2006-overexpression/part-0.parquet +3 -0
  6. dto/binding_repo_dataset=callingcards-annotated_features/perturbation_repo_dataset=kemmeren_2014-kemmeren_2014/part-0.parquet +2 -2
  7. dto/binding_repo_dataset=callingcards-annotated_features/perturbation_repo_dataset=mahendrawada_2025-rnaseq_reprocessed/part-0.parquet +3 -0
  8. dto/binding_repo_dataset=callingcards-annotated_features_combined/perturbation_repo_dataset=hackett_2020-hackett_2020/part-0.parquet +3 -0
  9. dto/binding_repo_dataset=callingcards-annotated_features_combined/perturbation_repo_dataset=hu_2007_reimand_2010-hu_2007_reimand_2010/part-0.parquet +3 -0
  10. dto/binding_repo_dataset=callingcards-annotated_features_combined/perturbation_repo_dataset=hughes_2006-knockout/part-0.parquet +3 -0
  11. dto/binding_repo_dataset=callingcards-annotated_features_combined/perturbation_repo_dataset=hughes_2006-overexpression/part-0.parquet +3 -0
  12. dto/binding_repo_dataset=callingcards-annotated_features_combined/perturbation_repo_dataset=kemmeren_2014-kemmeren_2014/part-0.parquet +3 -0
  13. dto/binding_repo_dataset=callingcards-annotated_features_combined/perturbation_repo_dataset=mahendrawada_2025-rnaseq_reprocessed/part-0.parquet +3 -0
  14. dto/binding_repo_dataset=harbison_2004-harbison_2004/perturbation_repo_dataset=hackett_2020-hackett_2020/part-0.parquet +3 -0
  15. dto/binding_repo_dataset=harbison_2004-harbison_2004/perturbation_repo_dataset=hu_2007_reimand_2010-hu_2007_reimand_2010/part-0.parquet +2 -2
  16. dto/binding_repo_dataset=harbison_2004-harbison_2004/perturbation_repo_dataset=hughes_2006-knockout/part-0.parquet +3 -0
  17. dto/binding_repo_dataset=harbison_2004-harbison_2004/perturbation_repo_dataset=hughes_2006-overexpression/part-0.parquet +3 -0
  18. dto/binding_repo_dataset=harbison_2004-harbison_2004/perturbation_repo_dataset=kemmeren_2014-kemmeren_2014/part-0.parquet +2 -2
  19. dto/binding_repo_dataset=harbison_2004-harbison_2004/perturbation_repo_dataset=mahendrawada_2025-rnaseq_reprocessed/part-0.parquet +3 -0
  20. dto/binding_repo_dataset=mahendrawada_2025-chec_mahendrawada_m2025_af_combined/perturbation_repo_dataset=hackett_2020-hackett_2020/part-0.parquet +3 -0
  21. dto/binding_repo_dataset=mahendrawada_2025-chec_mahendrawada_m2025_af_combined/perturbation_repo_dataset=hu_2007_reimand_2010-hu_2007_reimand_2010/part-0.parquet +3 -0
  22. dto/binding_repo_dataset=mahendrawada_2025-chec_mahendrawada_m2025_af_combined/perturbation_repo_dataset=hughes_2006-knockout/part-0.parquet +3 -0
  23. dto/binding_repo_dataset=mahendrawada_2025-chec_mahendrawada_m2025_af_combined/perturbation_repo_dataset=hughes_2006-overexpression/part-0.parquet +3 -0
  24. dto/binding_repo_dataset=mahendrawada_2025-chec_mahendrawada_m2025_af_combined/perturbation_repo_dataset=kemmeren_2014-kemmeren_2014/part-0.parquet +3 -0
  25. dto/binding_repo_dataset=mahendrawada_2025-chec_mahendrawada_m2025_af_combined/perturbation_repo_dataset=mahendrawada_2025-rnaseq_reprocessed/part-0.parquet +3 -0
  26. dto/binding_repo_dataset=rossi_2021-rossi_2021_af_combined/perturbation_repo_dataset=hackett_2020-hackett_2020/part-0.parquet +3 -0
  27. dto/binding_repo_dataset=rossi_2021-rossi_2021_af_combined/perturbation_repo_dataset=hu_2007_reimand_2010-hu_2007_reimand_2010/part-0.parquet +3 -0
  28. dto/binding_repo_dataset=rossi_2021-rossi_2021_af_combined/perturbation_repo_dataset=hughes_2006-knockout/part-0.parquet +3 -0
  29. dto/binding_repo_dataset=rossi_2021-rossi_2021_af_combined/perturbation_repo_dataset=hughes_2006-overexpression/part-0.parquet +3 -0
  30. dto/binding_repo_dataset=rossi_2021-rossi_2021_af_combined/perturbation_repo_dataset=kemmeren_2014-kemmeren_2014/part-0.parquet +3 -0
  31. dto/binding_repo_dataset=rossi_2021-rossi_2021_af_combined/perturbation_repo_dataset=mahendrawada_2025-rnaseq_reprocessed/part-0.parquet +3 -0
  32. scripts/dto_preparation.R +62 -216
  33. scripts/parse_dto_results.R +147 -0
.gitignore ADDED
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dto/{binding_repo_dataset=harbison_2004-harbison_2004/perturbation_repo_dataset=Hackett_2020-hackett_2020 → binding_repo_dataset=callingcards-annotated_features/perturbation_repo_dataset=hackett_2020-hackett_2020}/part-0.parquet RENAMED
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scripts/dto_preparation.R CHANGED
@@ -88,100 +88,26 @@ single_cc = arrow::open_dataset("~/code/hf/callingcards/annotated_features") %>%
88
  left_join(single_cc_meta) %>%
89
  mutate(id = as.character(id))
90
 
 
 
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  binding_data = list(
92
  cc = single_cc %>%
93
  select(intersect(colnames(.), colnames(composite_cc))) %>%
94
  bind_rows(composite_cc %>%
95
- select(intersect(colnames(.), colnames(single_cc)))),
 
96
  harbison = arrow::read_parquet("~/code/hf/harbison_2004/harbison_2004.parquet") %>%
97
  replace_na(list(effect = 0, pvalue = 1)) %>%
98
  group_by(sample_id, target_locus_tag) %>%
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  slice_max(abs(effect), n = 1, with_ties = FALSE) %>%
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- ungroup(),
 
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  chipexo = arrow::read_parquet("~/code/hf/rossi_2021/rossi_2021_af_combined.parquet") %>%
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- left_join(arrow::read_parquet("~/code/hf/rossi_2021/rossi_2021_metadata_sample.parquet")),
 
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  mahendrawada_chec = arrow::read_parquet("~/code/hf/mahendrawada_2025/chec_mahendrawada_m2025_af_combined.parquet") %>%
104
- left_join(arrow::read_parquet("~/code/hf/mahendrawada_2025/chec_mahendrawada_m2025_af_combined_meta.parquet"))
105
- )
106
-
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- mahendrawada_rnaseq_dto_background = map(binding_data, ~{
108
- .x %>%
109
- ungroup() %>%
110
- select(target_locus_tag) %>%
111
- distinct() %>%
112
- filter(target_locus_tag %in% unique(perturbation_response_data$mahendrawada_rnaseq$target_locus_tag))
113
- })
114
-
115
- mahendrawada_rnaseq_dto = list(
116
- cc = list(
117
- binding = binding_data$cc %>%
118
- filter(poisson_pval <= 0.1) %>%
119
- filter(regulator_locus_tag %in% unique(perturbation_response_data$mahendrawada_rnaseq$regulator_locus_tag),
120
- target_locus_tag %in% unique(perturbation_response_data$mahendrawada_rnaseq$target_locus_tag)) %>%
121
- group_by(id) %>%
122
- arrange(desc(callingcards_enrichment)) %>%
123
- mutate(pvalue_rank = rank(poisson_pval, ties.method = 'min')) %>%
124
- dplyr::rename(sample_id = id) %>%
125
- group_by(sample_id),
126
- pr = perturbation_response_data$mahendrawada_rnaseq %>%
127
- filter(pvalue <= 0.1) %>%
128
- filter(regulator_locus_tag %in% unique(binding_data$cc$regulator_locus_tag),
129
- target_locus_tag %in% unique(binding_data$cc$target_locus_tag)) %>%
130
- group_by(sample_id) %>%
131
- mutate(abs_log2fc_rank = rank(-abs_log2fc, ties.method = 'min'),
132
- pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
133
- group_by(sample_id)),
134
- harbison = list(
135
- binding = binding_data$harbison %>%
136
- filter(pvalue <= 0.1) %>%
137
- filter(regulator_locus_tag %in% unique(perturbation_response_data$mahendrawada_rnaseq$regulator_locus_tag),
138
- target_locus_tag %in% unique(perturbation_response_data$mahendrawada_rnaseq$target_locus_tag)) %>%
139
- group_by(sample_id) %>%
140
- arrange(desc(effect)) %>%
141
- mutate(pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
142
- group_by(sample_id),
143
- pr = perturbation_response_data$mahendrawada_rnaseq %>%
144
- filter(pvalue <= 0.1) %>%
145
- filter(regulator_locus_tag %in% unique(binding_data$harbison$regulator_locus_tag),
146
- target_locus_tag %in% unique(binding_data$harbison$target_locus_tag)) %>%
147
- group_by(sample_id) %>%
148
- mutate(abs_log2fc_rank = rank(-abs_log2fc, ties.method = 'min'),
149
- pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
150
- group_by(sample_id)),
151
- chipexo = list(
152
- binding = binding_data$chipexo %>%
153
- filter(log_poisson_pval <= log(0.1)) %>%
154
- filter(regulator_locus_tag %in% unique(perturbation_response_data$mahendrawada_rnaseq$regulator_locus_tag),
155
- target_locus_tag %in% unique(perturbation_response_data$mahendrawada_rnaseq$target_locus_tag)) %>%
156
- group_by(sample_id) %>%
157
- arrange(desc(enrichment)) %>%
158
- mutate(pvalue_rank = rank(log_poisson_pval, ties.method = 'min')) %>%
159
- group_by(sample_id),
160
- pr = perturbation_response_data$mahendrawada_rnaseq %>%
161
- filter(pvalue <= 0.1) %>%
162
- filter(regulator_locus_tag %in% unique(binding_data$chipexo$regulator_locus_tag),
163
- target_locus_tag %in% unique(binding_data$chipexo$target_locus_tag)) %>%
164
- group_by(sample_id) %>%
165
- mutate(abs_log2fc_rank = rank(-abs_log2fc, ties.method = 'min'),
166
- pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
167
- group_by(sample_id)),
168
- mahendrawada_chec = list(
169
- binding = binding_data$mahendrawada_chec %>%
170
- filter(log_poisson_pval <= log(0.1)) %>%
171
- filter(regulator_locus_tag %in% unique(perturbation_response_data$mahendrawada_rnaseq$regulator_locus_tag),
172
- target_locus_tag %in% unique(perturbation_response_data$mahendrawada_rnaseq$target_locus_tag)) %>%
173
- group_by(sample_id) %>%
174
- arrange(desc(enrichment)) %>%
175
- mutate(pvalue_rank = rank(log_poisson_pval, ties.method = 'min')) %>%
176
- group_by(sample_id),
177
- pr = perturbation_response_data$mahendrawada_rnaseq %>%
178
- filter(pvalue <= 0.1) %>%
179
- filter(regulator_locus_tag %in% unique(binding_data$mahendrawada_chec$regulator_locus_tag),
180
- target_locus_tag %in% unique(binding_data$mahendrawada_chec$target_locus_tag)) %>%
181
- group_by(sample_id) %>%
182
- mutate(abs_log2fc_rank = rank(-abs_log2fc, ties.method = 'min'),
183
- pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
184
- group_by(sample_id))
185
  )
186
 
187
  # Function to create DTO for a given PR dataset
@@ -232,7 +158,12 @@ create_pr_dto = function(pr_data, pr_effect_col, pr_pval_col, binding_data_list)
232
  group_by(sample_id) %>%
233
  mutate(abs_effect_rank = rank(-abs(effect), ties.method = 'min'),
234
  pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
235
- group_by(sample_id)),
 
 
 
 
 
236
 
237
  harbison = list(
238
  binding = binding_data_list$harbison %>%
@@ -251,7 +182,12 @@ create_pr_dto = function(pr_data, pr_effect_col, pr_pval_col, binding_data_list)
251
  group_by(sample_id) %>%
252
  mutate(abs_effect_rank = rank(-abs(effect), ties.method = 'min'),
253
  pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
254
- group_by(sample_id)),
 
 
 
 
 
255
 
256
  chipexo = list(
257
  binding = binding_data_list$chipexo %>%
@@ -270,7 +206,12 @@ create_pr_dto = function(pr_data, pr_effect_col, pr_pval_col, binding_data_list)
270
  group_by(sample_id) %>%
271
  mutate(abs_effect_rank = rank(-abs(effect), ties.method = 'min'),
272
  pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
273
- group_by(sample_id)),
 
 
 
 
 
274
 
275
  mahendrawada_chec = list(
276
  binding = binding_data_list$mahendrawada_chec %>%
@@ -289,7 +230,12 @@ create_pr_dto = function(pr_data, pr_effect_col, pr_pval_col, binding_data_list)
289
  group_by(sample_id) %>%
290
  mutate(abs_effect_rank = rank(-abs(effect), ties.method = 'min'),
291
  pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
292
- group_by(sample_id))
 
 
 
 
 
293
  )
294
 
295
  return(dto_list)
@@ -341,7 +287,7 @@ all_pr_dtos = list(
341
  )
342
 
343
  # Write out DTO ranked lists
344
-
345
  write_out_pr_dto_lists = function(pr_dataset_name,
346
  binding_pr_set_name,
347
  all_pr_dtos_list,
@@ -393,16 +339,9 @@ write_out_pr_dto_lists = function(pr_dataset_name,
393
  write_csv(file.path(curr_output_path$pr_pvalue, paste0(.x, ".csv")),
394
  col_names = FALSE)
395
  })
396
- }
397
 
398
- # Generalized function to write background
399
- write_pr_background = function(pr_dataset_name,
400
- binding_pr_set_name,
401
- background_list,
402
- base_outdir = here("results/dto")) {
403
- output_path = file.path(base_outdir, pr_dataset_name)
404
-
405
- background_list[[binding_pr_set_name]] %>%
406
  write_csv(file.path(output_path, binding_pr_set_name, "background.csv"),
407
  col_names = FALSE)
408
  }
@@ -464,44 +403,32 @@ create_pr_lookups = function(pr_dataset_name, binding_pr_set_name,
464
  incomplete_after_filtering = incomplete_after_filtering
465
  ))
466
  }
467
- # Create background lists for all PR datasets (if not already created)
468
- all_pr_backgrounds = map(names(all_pr_dtos), ~{
469
- map(binding_data, function(bd) {
470
- bd %>%
471
- ungroup() %>%
472
- select(target_locus_tag) %>%
473
- distinct() %>%
474
- filter(target_locus_tag %in% unique(all_pr_dtos[[.x]][[1]]$pr$target_locus_tag))
475
- })
476
- })
477
- names(all_pr_backgrounds) = names(all_pr_dtos)
478
-
479
- # Write out all DTOs for all PR datasets
480
- lookup_results = list()
481
 
482
- dto_input_outdir = here("results/dto")
483
- for (pr_name in names(all_pr_dtos)) {
484
- lookup_results[[pr_name]] = list()
485
-
486
- for (binding_name in names(all_pr_dtos[[pr_name]])) {
487
- write_out_pr_dto_lists(pr_name, binding_name, all_pr_dtos)
488
- write_pr_background(pr_name, binding_name, all_pr_backgrounds[[pr_name]])
489
-
490
- lookup_result = create_pr_lookups(pr_name, binding_name, all_pr_dtos)
491
- lookup_results[[pr_name]][[binding_name]] = lookup_result
492
-
493
- # Write complete lookups only
494
- lookup_result$lookup %>%
495
- write_tsv(file.path(dto_input_outdir, pr_name, binding_name, "lookup.txt"),
496
- col_names = FALSE)
497
-
498
- # Write incomplete cases for reference
499
- if (nrow(lookup_result$incomplete_after_filtering) > 0) {
500
- lookup_result$incomplete_after_filtering %>%
501
- write_csv(file.path(dto_input_outdir, pr_name, binding_name, "incomplete.csv"))
502
- }
503
- }
504
- }
 
 
505
 
506
  # Summary of incomplete cases across all datasets
507
  incomplete_summary = map_dfr(names(lookup_results), ~{
@@ -512,84 +439,3 @@ incomplete_summary = map_dfr(names(lookup_results), ~{
512
  })
513
 
514
  print(incomplete_summary %>% count(pr_dataset, binding_dataset, missing_type))
515
-
516
- dto_results_path_list = list.files(base_outdir,
517
- "*.json",
518
- recursive = TRUE)
519
-
520
- ## Parse the results -- note that this needs to be adjusted for the
521
- ## expanded set of perturbation response
522
-
523
- dto_results_frames_list = map(file.path(base_outdir, dto_results_path_list),
524
- ~as_tibble(jsonlite::read_json(.x)))
525
- names(dto_results_frames_list) = dto_results_path_list
526
- dto_results_frame = bind_rows(dto_results_frames_list, .id = 'path')
527
-
528
- curr_dto_res = arrow::open_dataset("~/code/hf/yeast_comparative_analysis/dto") %>%
529
- collect()
530
-
531
- results_df = tibble(
532
- combined_id = str_remove(basename(dto_results_list), ".json"),
533
- binding_source = dirname(dirname(dirname(dirname(dto_results_list)))),
534
- pr_scoring = basename(dirname(dto_results_list)),
535
- path = dto_results_path_list) %>%
536
- separate_wider_delim(combined_id,
537
- names = c('binding_sampleid', 'pr_sampleid'),
538
- delim = '-_-') %>%
539
- left_join(dto_results_frame) %>%
540
- select(-path) %>%
541
- mutate(
542
- binding_id = case_when(
543
- binding_source == "cc" & str_detect(binding_sampleid, "-")
544
- ~ paste0("BrentLab/callingcards;annotated_features_combined",
545
- binding_sampleid),
546
- binding_source == "cc" & str_detect(binding_sampleid, "-", negate=TRUE)
547
- ~ paste0("BrentLab/callingcards;annotated_features",
548
- binding_sampleid),
549
- binding_source == "chipexo"
550
- ~ paste0("BrentLab/rossi_2021;rossi_2021_af_combined",
551
- binding_sampleid),
552
- binding_source == "harbison"
553
- ~ paste0("BrentLab/harbison_2004;harbison_2004",
554
- binding_sampleid),
555
- binding_source == "mahendrawada_chec"
556
- ~ paste0("BrentLab/mahendrawada_2025;chec_mahendrawada_m2025_af_combined",
557
- binding_sampleid)),
558
- perturbation_id = paste0("BrentLab/mahendrawada_2025/rnaseq_reprocessed", pr_sampleid),
559
- binding_repo_dataset = case_when(
560
- binding_source == "cc" & str_detect(binding_sampleid, "-")
561
- ~ "callingcards-annotated_features_combined",
562
- binding_source == "cc" & str_detect(binding_sampleid, "-", negate=TRUE)
563
- ~ "callingcards-annotated_features",
564
- binding_source == "chipexo"
565
- ~ "rossi_2021-rossi_2021_af_combined",
566
- binding_source == "harbison"
567
- ~ paste0("harbison_2004-harbison_2004"),
568
- binding_source == "mahendrawada_chec"
569
- ~ "mahendrawada_2025-chec_mahendrawada_m2025_af_combined"),
570
- perturbation_repo_dataset = "mahendrawada_2025-rnaseq_reprocessed") %>%
571
- dplyr::rename(binding_rank_threshold = rank1,
572
- perturbation_rank_threshold = rank2,
573
- binding_set_size = set1_len,
574
- perturbation_set_size = set2_len,
575
- dto_fdr = fdr,
576
- dto_empirical_pvalue = empirical_pvalue) %>%
577
- select(binding_id, perturbation_id,
578
- binding_rank_threshold, perturbation_rank_threshold,
579
- binding_set_size, perturbation_set_size,
580
- dto_fdr, dto_empirical_pvalue,
581
- binding_repo_dataset, perturbation_repo_dataset)
582
-
583
- # arrow::write_dataset(
584
- # results_df,
585
- # path = "/home/chase/code/hf/yeast_comparative_analysis/dto",
586
- # format = "parquet",
587
- # partitioning = c("binding_repo_dataset", "perturbation_repo_dataset"),
588
- # existing_data_behavior = "overwrite",
589
- # compression = "zstd",
590
- # write_statistics = TRUE,
591
- # use_dictionary = c(
592
- # binding_id = TRUE,
593
- # perturbation_id = TRUE
594
- # )
595
- # )
 
88
  left_join(single_cc_meta) %>%
89
  mutate(id = as.character(id))
90
 
91
+ # note: filter these for the mahendrawada features, too. Restricts analysis
92
+ # to only non dubious genomic loci
93
  binding_data = list(
94
  cc = single_cc %>%
95
  select(intersect(colnames(.), colnames(composite_cc))) %>%
96
  bind_rows(composite_cc %>%
97
+ select(intersect(colnames(.), colnames(single_cc)))) %>%
98
+ filter(target_locus_tag %in% mahendrawada_features$locus_tag),
99
  harbison = arrow::read_parquet("~/code/hf/harbison_2004/harbison_2004.parquet") %>%
100
  replace_na(list(effect = 0, pvalue = 1)) %>%
101
  group_by(sample_id, target_locus_tag) %>%
102
  slice_max(abs(effect), n = 1, with_ties = FALSE) %>%
103
+ ungroup() %>%
104
+ filter(target_locus_tag %in% mahendrawada_features$locus_tag),
105
  chipexo = arrow::read_parquet("~/code/hf/rossi_2021/rossi_2021_af_combined.parquet") %>%
106
+ left_join(arrow::read_parquet("~/code/hf/rossi_2021/rossi_2021_metadata_sample.parquet")) %>%
107
+ filter(target_locus_tag %in% mahendrawada_features$locus_tag),
108
  mahendrawada_chec = arrow::read_parquet("~/code/hf/mahendrawada_2025/chec_mahendrawada_m2025_af_combined.parquet") %>%
109
+ left_join(arrow::read_parquet("~/code/hf/mahendrawada_2025/chec_mahendrawada_m2025_af_combined_meta.parquet")) %>%
110
+ filter(target_locus_tag %in% mahendrawada_features$locus_tag)
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
111
  )
112
 
113
  # Function to create DTO for a given PR dataset
 
158
  group_by(sample_id) %>%
159
  mutate(abs_effect_rank = rank(-abs(effect), ties.method = 'min'),
160
  pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
161
+ group_by(sample_id),
162
+ background = pr_standardized %>%
163
+ filter(regulator_locus_tag %in% unique(binding_data_list$cc$regulator_locus_tag),
164
+ target_locus_tag %in% unique(binding_data_list$cc$target_locus_tag)) %>%
165
+ pull(target_locus_tag) %>%
166
+ unique()),
167
 
168
  harbison = list(
169
  binding = binding_data_list$harbison %>%
 
182
  group_by(sample_id) %>%
183
  mutate(abs_effect_rank = rank(-abs(effect), ties.method = 'min'),
184
  pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
185
+ group_by(sample_id),
186
+ background = pr_standardized %>%
187
+ filter(regulator_locus_tag %in% unique(binding_data_list$harbison$regulator_locus_tag),
188
+ target_locus_tag %in% unique(binding_data_list$harbison$target_locus_tag)) %>%
189
+ pull(target_locus_tag) %>%
190
+ unique()),
191
 
192
  chipexo = list(
193
  binding = binding_data_list$chipexo %>%
 
206
  group_by(sample_id) %>%
207
  mutate(abs_effect_rank = rank(-abs(effect), ties.method = 'min'),
208
  pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
209
+ group_by(sample_id),
210
+ background = pr_standardized %>%
211
+ filter(regulator_locus_tag %in% unique(binding_data_list$chipexo$regulator_locus_tag),
212
+ target_locus_tag %in% unique(binding_data_list$chipexo$target_locus_tag)) %>%
213
+ pull(target_locus_tag) %>%
214
+ unique()),
215
 
216
  mahendrawada_chec = list(
217
  binding = binding_data_list$mahendrawada_chec %>%
 
230
  group_by(sample_id) %>%
231
  mutate(abs_effect_rank = rank(-abs(effect), ties.method = 'min'),
232
  pvalue_rank = rank(pvalue, ties.method = 'min')) %>%
233
+ group_by(sample_id),
234
+ background = pr_standardized %>%
235
+ filter(regulator_locus_tag %in% unique(binding_data_list$mahendrawada_chec$regulator_locus_tag),
236
+ target_locus_tag %in% unique(binding_data_list$mahendrawada_chec$target_locus_tag)) %>%
237
+ pull(target_locus_tag) %>%
238
+ unique())
239
  )
240
 
241
  return(dto_list)
 
287
  )
288
 
289
  # Write out DTO ranked lists
290
+ # Write out DTO ranked lists
291
  write_out_pr_dto_lists = function(pr_dataset_name,
292
  binding_pr_set_name,
293
  all_pr_dtos_list,
 
339
  write_csv(file.path(curr_output_path$pr_pvalue, paste0(.x, ".csv")),
340
  col_names = FALSE)
341
  })
 
342
 
343
+ # Write out background
344
+ tibble(target_locus_tag = binding_pr_set$background) %>%
 
 
 
 
 
 
345
  write_csv(file.path(output_path, binding_pr_set_name, "background.csv"),
346
  col_names = FALSE)
347
  }
 
403
  incomplete_after_filtering = incomplete_after_filtering
404
  ))
405
  }
 
 
 
 
 
 
 
 
 
 
 
 
 
 
406
 
407
+ # # Write out all DTOs for all PR datasets
408
+ # lookup_results = list()
409
+ #
410
+ # dto_input_outdir = here("results/dto")
411
+ # for (pr_name in names(all_pr_dtos)) {
412
+ # lookup_results[[pr_name]] = list()
413
+ #
414
+ # for (binding_name in names(all_pr_dtos[[pr_name]])) {
415
+ # write_out_pr_dto_lists(pr_name, binding_name, all_pr_dtos)
416
+ #
417
+ # lookup_result = create_pr_lookups(pr_name, binding_name, all_pr_dtos)
418
+ # lookup_results[[pr_name]][[binding_name]] = lookup_result
419
+ #
420
+ # # Write complete lookups only
421
+ # lookup_result$lookup %>%
422
+ # write_tsv(file.path(dto_input_outdir, pr_name, binding_name, "lookup.txt"),
423
+ # col_names = FALSE)
424
+ #
425
+ # # Write incomplete cases for reference
426
+ # if (nrow(lookup_result$incomplete_after_filtering) > 0) {
427
+ # lookup_result$incomplete_after_filtering %>%
428
+ # write_csv(file.path(dto_input_outdir, pr_name, binding_name, "incomplete.csv"))
429
+ # }
430
+ # }
431
+ # }
432
 
433
  # Summary of incomplete cases across all datasets
434
  incomplete_summary = map_dfr(names(lookup_results), ~{
 
439
  })
440
 
441
  print(incomplete_summary %>% count(pr_dataset, binding_dataset, missing_type))
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
scripts/parse_dto_results.R ADDED
@@ -0,0 +1,147 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ library(tidyverse)
2
+ library(furrr)
3
+ library(here)
4
+
5
+ dto_results_lookup = expand_grid(
6
+ pr_source = c("hackett", "hughes_oe", "hughes_ko", "hu_reimand", "kemmeren", "mahendrawada_rnaseq"),
7
+ binding_source = c("cc", "chipexo", "harbison", "mahendrawada_chec"),
8
+ pr_ranking_column = c("log2fc", "pvalue")) %>%
9
+ mutate(
10
+ result_file = map(file.path(here("results/dto"),
11
+ pr_source,
12
+ binding_source, "results",
13
+ pr_ranking_column),
14
+ ~list.files(.x, full.names = TRUE))) %>%
15
+ unnest(result_file) %>%
16
+ mutate(tmp = str_remove(basename(result_file), ".json")) %>%
17
+ separate_wider_delim(tmp,
18
+ names = c('binding_id', 'perturbation_id'),
19
+ delim = "-_-")
20
+
21
+ plan(multisession, workers = 20)
22
+
23
+ # Function with retry logic
24
+ read_json_with_retry = function(filepath, max_retries = 1) {
25
+ for (attempt in 1:max_retries) {
26
+ result = tryCatch({
27
+ pivot_wider(enframe(as_vector(jsonlite::read_json(filepath))))
28
+ }, error = function(e) {
29
+ if (attempt < max_retries) {
30
+ message(sprintf("Attempt %d/%d failed for %s: %s. Retrying...",
31
+ attempt, max_retries, filepath, e$message))
32
+ Sys.sleep(2^(attempt - 1)) # Exponential backoff: 1s, 2s, 4s, 8s, 16s
33
+ NULL
34
+ } else {
35
+ stop(sprintf("Failed after %d attempts for file: %s\nError: %s",
36
+ max_retries, filepath, e$message))
37
+ }
38
+ })
39
+
40
+ if (!is.null(result)) {
41
+ return(result)
42
+ }
43
+ }
44
+ }
45
+
46
+ dto_results_list = future_imap(dto_results_lookup$result_file, ~{
47
+ tryCatch({
48
+ # Check if file is empty
49
+ if (file.size(.x) == 0) {
50
+ return(tibble(
51
+ empirical_pvalue = NA_real_,
52
+ fdr = NA_real_,
53
+ population_size = NA_real_,
54
+ rank1 = NA_real_,
55
+ rank2 = NA_real_,
56
+ set1_len = NA_real_,
57
+ set2_len = NA_real_,
58
+ unpermuted_intersection_size = NA_real_,
59
+ unpermuted_pvalue = NA_real_
60
+ ))
61
+ }
62
+ read_json_with_retry(.x)
63
+ }, error = function(e) {
64
+ stop(sprintf("Index %d failed:\nFile: %s\nError: %s",
65
+ .y, .x, e$message))
66
+ })
67
+ }, .progress = TRUE, .options = furrr_options(seed = TRUE))
68
+
69
+ dto_results_df = bind_cols(dto_results_lookup, bind_rows(dto_results_list))
70
+
71
+ hf_results_df = dto_results_df %>%
72
+ mutate(
73
+ binding_id = case_when(
74
+ binding_source == "cc" & str_detect(binding_id, "-")
75
+ ~ paste0("BrentLab/callingcards;annotated_features_combined;",
76
+ binding_id),
77
+ binding_source == "cc" & str_detect(binding_id, "-", negate=TRUE)
78
+ ~ paste0("BrentLab/callingcards;annotated_features;",
79
+ binding_id),
80
+ binding_source == "chipexo"
81
+ ~ paste0("BrentLab/rossi_2021;rossi_2021_af_combined;",
82
+ binding_id),
83
+ binding_source == "harbison"
84
+ ~ paste0("BrentLab/harbison_2004;harbison_2004;",
85
+ binding_id),
86
+ binding_source == "mahendrawada_chec"
87
+ ~ paste0("BrentLab/mahendrawada_2025;chec_mahendrawada_m2025_af_combined;",
88
+ binding_id)),
89
+ perturbation_id = case_when(
90
+ pr_source == "hackett" ~ paste0("BrentLab/hackett_2020;hackett_2020;", perturbation_id),
91
+ pr_source == "hughes_oe" ~ paste0("BrentLab/hughes_2006;overexpression;", perturbation_id),
92
+ pr_source == "hughes_ko" ~ paste0("BrentLab/hughes_2006;knockout;", perturbation_id),
93
+ pr_source == "hu_reimand" ~ paste0("BrentLab/hu_2007_reimand_2010;hu_2007_reimand_2010;", perturbation_id),
94
+ pr_source == "kemmeren" ~ paste0("BrentLab/kemmeren_2014;kemmeren_2014;", perturbation_id),
95
+ pr_source == "mahendrawada_rnaseq" ~ paste0("BrentLab/mahendrawada_2025;rnaseq_reprocessed;", perturbation_id),
96
+ .default = "ERROR"),
97
+ binding_repo_dataset = case_when(
98
+ binding_source == "cc" & str_detect(binding_id, "-")
99
+ ~ "callingcards-annotated_features_combined",
100
+ binding_source == "cc" & str_detect(binding_id, "-", negate=TRUE)
101
+ ~ "callingcards-annotated_features",
102
+ binding_source == "chipexo"
103
+ ~ "rossi_2021-rossi_2021_af_combined",
104
+ binding_source == "harbison"
105
+ ~ paste0("harbison_2004-harbison_2004"),
106
+ binding_source == "mahendrawada_chec"
107
+ ~ "mahendrawada_2025-chec_mahendrawada_m2025_af_combined"),
108
+ perturbation_repo_dataset = case_when(
109
+ pr_source == "hackett" ~ paste0("hackett_2020-hackett_2020"),
110
+ pr_source == "hughes_oe" ~ paste0("hughes_2006-overexpression"),
111
+ pr_source == "hughes_ko" ~ paste0("hughes_2006-knockout"),
112
+ pr_source == "hu_reimand" ~ paste0("hu_2007_reimand_2010-hu_2007_reimand_2010"),
113
+ pr_source == "kemmeren" ~ paste0("kemmeren_2014-kemmeren_2014"),
114
+ pr_source == "mahendrawada_rnaseq" ~ paste0("mahendrawada_2025-rnaseq_reprocessed"),
115
+ .default = "ERROR")) %>%
116
+ dplyr::rename(binding_rank_threshold = rank1,
117
+ perturbation_rank_threshold = rank2,
118
+ binding_set_size = set1_len,
119
+ perturbation_set_size = set2_len,
120
+ dto_fdr = fdr,
121
+ dto_empirical_pvalue = empirical_pvalue) %>%
122
+ select(binding_id, perturbation_id,
123
+ binding_rank_threshold, perturbation_rank_threshold,
124
+ binding_set_size, perturbation_set_size,
125
+ dto_fdr, dto_empirical_pvalue,
126
+ binding_repo_dataset, perturbation_repo_dataset)
127
+
128
+
129
+ # note that the deprecated directory is ignored in yeast_comparative_analysis.
130
+ # this exists on my computer and could exist on yours, too, if you wanted to
131
+ # put old results in a subdir called deprecated that would be ignored by huggingface/git
132
+ # old_db_dto_res = arrow::open_dataset("~/code/hf/yeast_comparative_analysis/deprecated/dto") %>%
133
+ # collect()
134
+
135
+ # arrow::write_dataset(
136
+ # hf_results_df,
137
+ # path = "/home/chase/code/hf/yeast_comparative_analysis/dto",
138
+ # format = "parquet",
139
+ # partitioning = c("binding_repo_dataset", "perturbation_repo_dataset"),
140
+ # existing_data_behavior = "overwrite",
141
+ # compression = "zstd",
142
+ # write_statistics = TRUE,
143
+ # use_dictionary = c(
144
+ # binding_id = TRUE,
145
+ # perturbation_id = TRUE
146
+ # )
147
+ # )